945 1 2 3 8 7 1 1 2 2 3 2 1 2 5 10 1 2 3 -0.6175 0.6175 0.9797 0 0 0.6825 0 0 0.6518 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000003B100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 260 1 18410856563940031622 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 30.31 0.88 0.5 0.5 0 0 0 0 0 0.01 0 0.01 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 42.481 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 23.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 3 1 -0.16 2 -0.42 3 0.59 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 2 0 0 0 0 0 0 0 1 1